data_nef_c17529_2laj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 2 GLY C 2 3 SEP N 2 3 SEP C 2 4 PRO N 2 6 LEU C 2 7 SEP N 2 7 SEP C 2 8 PRO N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 472 GLY start . false 2 A 473 ALA middle . . 3 A 474 MET middle . . 4 A 475 GLU middle . . 5 A 476 GLN middle . . 6 A 477 SER middle . . 7 A 478 PHE middle . . 8 A 479 LEU middle . . 9 A 480 PRO middle . false 10 A 481 PRO middle . false 11 A 482 GLY middle . false 12 A 483 TRP middle . . 13 A 484 GLU middle . . 14 A 485 MET middle . . 15 A 486 ARG middle . . 16 A 487 ILE middle . . 17 A 488 ALA middle . . 18 A 489 PRO middle . false 19 A 490 ASN middle . . 20 A 491 GLY middle . false 21 A 492 ARG middle . . 22 A 493 PRO middle . false 23 A 494 PHE middle . . 24 A 495 PHE middle . . 25 A 496 TYR middle . . 26 A 497 ASP middle . . 27 A 498 HIS middle . . 28 A 499 ASN middle . . 29 A 500 THR middle . . 30 A 501 LYS middle . . 31 A 502 THR middle . . 32 A 503 THR middle . . 33 A 504 THR middle . . 34 A 505 TRP middle . . 35 A 506 GLU middle . . 36 A 507 ASP middle . . 37 A 508 PRO middle . false 38 A 509 ARG middle . . 39 A 510 LEU middle . . 40 A 511 LYS middle . . 41 A 512 PHE middle . . 42 A 513 PRO middle . false 43 A 514 VAL middle . . 44 A 515 HIS end . . 45 B 202 ALA start . . 46 B 203 GLY middle . false 47 B 204 SEP middle . . 48 B 205 PRO middle . false 49 B 206 ASN middle . . 50 B 207 LEU middle . . 51 B 208 SEP middle . . 52 B 209 PRO middle . false 53 B 210 ASN middle . . 54 B 211 PRO end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 476 GLN H H 1 7.801 0.000 A 476 GLN HA H 1 4.088 0.000 A 476 GLN HBx H 1 1.697 0.046 A 476 GLN HBy H 1 1.754 0.062 A 476 GLN HE2y H 1 7.311 0.001 A 476 GLN HE2x H 1 6.806 0.131 A 476 GLN HGy H 1 2.006 0.025 A 476 GLN HGx H 1 1.678 0.004 A 477 SER H H 1 8.242 0.001 A 477 SER HA H 1 4.381 0.000 A 477 SER HBy H 1 4.090 0.000 A 477 SER HBx H 1 4.025 0.005 A 478 PHE H H 1 7.955 0.001 A 478 PHE HA H 1 4.442 0.000 A 478 PHE HBy H 1 3.002 0.000 A 478 PHE HBx H 1 2.797 0.000 A 478 PHE HDx H 1 7.038 0.001 A 478 PHE HDy H 1 7.038 0.001 A 478 PHE HEx H 1 6.837 0.000 A 478 PHE HEy H 1 6.837 0.000 A 478 PHE HZ H 1 7.085 0.000 A 479 LEU H H 1 8.329 0.000 A 479 LEU HA H 1 4.099 0.000 A 479 LEU HBy H 1 1.606 0.000 A 479 LEU HBx H 1 1.483 0.001 A 479 LEU HG H 1 1.227 0.000 A 480 PRO HA H 1 4.461 0.001 A 480 PRO HBy H 1 2.210 0.003 A 480 PRO HBx H 1 1.688 0.014 A 480 PRO HDy H 1 3.174 0.000 A 480 PRO HDx H 1 2.656 0.006 A 480 PRO HGy H 1 1.503 0.003 A 480 PRO HGx H 1 1.234 0.003 A 481 PRO HA H 1 4.194 0.000 A 481 PRO HBy H 1 2.139 0.000 A 481 PRO HBx H 1 1.920 0.000 A 481 PRO HDy H 1 3.644 0.000 A 481 PRO HDx H 1 3.369 0.000 A 481 PRO HGy H 1 1.756 0.000 A 481 PRO HGx H 1 1.711 0.000 A 481 PRO CA C 13 58.734 0.000 A 481 PRO CB C 13 25.920 0.000 A 482 GLY H H 1 8.635 0.000 A 482 GLY HAx H 1 4.053 0.000 A 482 GLY HAy H 1 4.179 0.000 A 482 GLY CA C 13 40.090 0.113 A 482 GLY N N 15 112.436 0.000 A 483 TRP H H 1 7.604 0.001 A 483 TRP HA H 1 5.416 0.003 A 483 TRP HBy H 1 3.132 0.000 A 483 TRP HBx H 1 2.805 0.000 A 483 TRP HD1 H 1 6.803 0.000 A 483 TRP HE1 H 1 10.020 0.000 A 483 TRP HE3 H 1 6.620 0.002 A 483 TRP HH2 H 1 6.870 0.000 A 483 TRP HZ2 H 1 7.160 0.000 A 483 TRP HZ3 H 1 7.136 0.001 A 483 TRP CA C 13 52.050 0.000 A 483 TRP CB C 13 26.254 0.052 A 483 TRP N N 15 118.901 0.000 A 484 GLU H H 1 9.355 0.001 A 484 GLU HA H 1 4.625 0.000 A 484 GLU HBy H 1 2.014 0.007 A 484 GLU HBx H 1 1.921 0.001 A 484 GLU HGy H 1 2.155 0.003 A 484 GLU HGx H 1 2.142 0.009 A 484 GLU CA C 13 49.419 0.000 A 484 GLU CB C 13 28.910 0.000 A 484 GLU N N 15 120.715 0.000 A 485 MET H H 1 8.918 0.001 A 485 MET HA H 1 4.548 0.000 A 485 MET HBy H 1 1.743 0.003 A 485 MET HBx H 1 1.607 0.004 A 485 MET HGy H 1 1.893 0.010 A 485 MET HGx H 1 1.822 0.004 A 485 MET CA C 13 49.484 0.000 A 485 MET CB C 13 29.231 0.000 A 486 ARG H H 1 8.280 0.000 A 486 ARG HA H 1 4.074 0.000 A 486 ARG HBy H 1 2.371 0.000 A 486 ARG HBx H 1 -0.510 0.000 A 486 ARG HDy H 1 1.105 0.000 A 486 ARG HDx H 1 0.998 0.000 A 486 ARG HE H 1 7.958 0.000 A 486 ARG HGy H 1 1.238 0.001 A 486 ARG HGx H 1 0.847 0.000 A 486 ARG CA C 13 48.315 0.097 A 486 ARG CB C 13 27.892 0.011 A 486 ARG N N 15 127.065 0.000 A 487 ILE H H 1 7.868 0.000 A 487 ILE HA H 1 5.007 0.002 A 487 ILE HB H 1 1.495 0.000 A 487 ILE HG1x H 1 0.667 0.000 A 487 ILE HG1y H 1 1.098 0.000 A 487 ILE CA C 13 54.236 0.057 A 487 ILE CB C 13 31.975 0.045 A 487 ILE N N 15 118.424 0.000 A 488 ALA H H 1 8.647 0.000 A 488 ALA HA H 1 4.094 0.004 A 488 ALA CA C 13 46.304 0.000 A 488 ALA CB C 13 12.023 0.000 A 488 ALA N N 15 130.688 0.000 A 489 PRO HA H 1 4.248 0.000 A 489 PRO HBy H 1 2.038 0.000 A 489 PRO HBx H 1 1.686 0.223 A 489 PRO HDy H 1 3.587 0.003 A 489 PRO HDx H 1 3.354 0.000 A 489 PRO HGy H 1 1.699 0.000 A 489 PRO HGx H 1 1.639 0.000 A 489 PRO CA C 13 60.176 0.000 A 489 PRO CB C 13 25.737 0.000 A 490 ASN H H 1 7.295 0.000 A 490 ASN HA H 1 4.409 0.000 A 490 ASN HBy H 1 3.035 0.000 A 490 ASN HBx H 1 2.638 0.000 A 490 ASN HD2y H 1 7.335 0.000 A 490 ASN HD2x H 1 5.906 0.003 A 490 ASN CA C 13 47.241 0.011 A 490 ASN CB C 13 31.665 0.046 A 490 ASN N N 15 111.491 0.000 A 491 GLY H H 1 8.371 0.000 A 491 GLY HAx H 1 3.302 0.000 A 491 GLY HAy H 1 4.063 0.000 A 491 GLY CA C 13 39.511 0.002 A 491 GLY N N 15 108.623 0.000 A 492 ARG H H 1 7.477 0.000 A 492 ARG HA H 1 4.518 0.000 A 492 ARG HBy H 1 1.831 0.006 A 492 ARG HBx H 1 1.633 0.000 A 492 ARG HDy H 1 2.554 0.004 A 492 ARG HDx H 1 2.060 0.000 A 492 ARG HE H 1 6.753 0.001 A 492 ARG HGy H 1 1.541 0.004 A 492 ARG HGx H 1 1.375 0.000 A 492 ARG CA C 13 48.722 0.000 A 492 ARG CB C 13 25.583 0.000 A 492 ARG N N 15 122.915 0.000 A 493 PRO HA H 1 4.182 0.003 A 493 PRO HBy H 1 1.553 0.000 A 493 PRO HBx H 1 1.497 0.000 A 493 PRO HDy H 1 3.919 0.004 A 493 PRO HDx H 1 3.630 0.043 A 493 PRO HGx H 1 1.252 0.017 A 493 PRO HGy H 1 1.829 0.000 A 493 PRO CA C 13 56.959 0.000 A 493 PRO CB C 13 26.847 0.000 A 494 PHE H H 1 8.636 0.003 A 494 PHE HA H 1 4.581 0.005 A 494 PHE HBy H 1 2.624 0.002 A 494 PHE HBx H 1 2.273 0.007 A 494 PHE HDx H 1 6.680 0.000 A 494 PHE HDy H 1 6.680 0.000 A 494 PHE HEx H 1 6.872 0.001 A 494 PHE HEy H 1 6.872 0.001 A 494 PHE HZ H 1 7.056 0.000 A 494 PHE CA C 13 50.319 0.000 A 494 PHE CB C 13 34.413 0.078 A 494 PHE N N 15 117.409 0.000 A 495 PHE H H 1 8.794 0.000 A 495 PHE HA H 1 5.167 0.002 A 495 PHE HBy H 1 3.014 0.031 A 495 PHE HBx H 1 2.927 0.003 A 495 PHE HDx H 1 6.840 0.002 A 495 PHE HDy H 1 6.840 0.002 A 495 PHE HEx H 1 6.564 0.000 A 495 PHE HEy H 1 6.564 0.000 A 495 PHE HZ H 1 6.795 0.008 A 495 PHE CA C 13 51.973 0.000 A 495 PHE CB C 13 36.728 0.079 A 495 PHE N N 15 117.038 0.000 A 496 TYR H H 1 9.086 0.000 A 496 TYR HA H 1 4.971 0.000 A 496 TYR HBy H 1 2.279 0.000 A 496 TYR HBx H 1 2.261 0.000 A 496 TYR HDx H 1 6.213 0.000 A 496 TYR HDy H 1 6.213 0.000 A 496 TYR HEx H 1 5.846 0.003 A 496 TYR HEy H 1 5.846 0.003 A 496 TYR CA C 13 50.967 0.000 A 496 TYR CB C 13 36.033 0.075 A 496 TYR N N 15 123.399 0.000 A 497 ASP H H 1 7.535 0.000 A 497 ASP HA H 1 3.527 0.000 A 497 ASP HBy H 1 1.422 0.000 A 497 ASP HBx H 1 -0.362 0.000 A 497 ASP CA C 13 45.627 0.000 A 497 ASP CB C 13 38.146 5.345 A 497 ASP N N 15 125.640 0.000 A 498 HIS H H 1 8.678 0.000 A 498 HIS HA H 1 3.603 0.000 A 498 HIS HBy H 1 2.998 0.000 A 498 HIS HBx H 1 2.815 0.000 A 498 HIS HD2 H 1 6.208 0.000 A 498 HIS HE1 H 1 6.910 0.000 A 498 HIS CA C 13 53.714 0.116 A 498 HIS CB C 13 24.925 0.116 A 498 HIS N N 15 123.495 0.000 A 499 ASN H H 1 7.914 0.000 A 499 ASN HA H 1 4.205 0.003 A 499 ASN HBy H 1 2.883 0.006 A 499 ASN HBx H 1 2.491 0.005 A 499 ASN HD2y H 1 7.869 0.009 A 499 ASN HD2x H 1 6.881 0.096 A 499 ASN CA C 13 50.851 0.038 A 499 ASN CB C 13 32.974 0.038 A 499 ASN N N 15 115.210 0.000 A 500 THR H H 1 6.324 0.000 A 500 THR HA H 1 4.025 0.000 A 500 THR CA C 13 55.842 0.000 A 500 THR CB C 13 65.438 0.000 A 500 THR N N 15 104.680 0.000 A 501 LYS H H 1 7.801 0.001 A 501 LYS HA H 1 3.343 0.000 A 501 LYS HBy H 1 1.931 0.000 A 501 LYS HBx H 1 1.673 0.000 A 501 LYS HDx H 1 1.008 0.003 A 501 LYS HEx H 1 2.758 0.000 A 501 LYS HGy H 1 1.393 0.000 A 501 LYS HGx H 1 1.066 0.000 A 502 THR H H 1 6.610 0.006 A 502 THR HA H 1 4.253 0.000 A 502 THR HB H 1 3.639 0.000 A 503 THR H H 1 8.117 0.000 A 503 THR HA H 1 5.218 0.001 A 503 THR HB H 1 3.688 0.000 A 503 THR CA C 13 54.913 0.000 A 503 THR CB C 13 65.516 0.000 A 504 THR H H 1 9.048 0.000 A 504 THR HA H 1 4.640 0.000 A 504 THR HB H 1 4.152 0.000 A 504 THR CA C 13 57.545 0.001 A 504 THR CB C 13 64.200 0.000 A 505 TRP H H 1 8.651 0.000 A 505 TRP HA H 1 4.905 0.001 A 505 TRP HBy H 1 3.499 0.000 A 505 TRP HBx H 1 2.972 0.000 A 505 TRP HD1 H 1 7.161 0.000 A 505 TRP HE1 H 1 9.911 0.000 A 505 TRP HE3 H 1 8.007 0.000 A 505 TRP HH2 H 1 6.744 0.000 A 505 TRP HZ2 H 1 7.067 0.000 A 505 TRP HZ3 H 1 6.795 0.000 A 505 TRP CA C 13 53.003 0.130 A 505 TRP CB C 13 25.082 0.000 A 506 GLU H H 1 8.419 0.000 A 506 GLU HA H 1 4.063 0.000 A 506 GLU HBy H 1 1.905 0.000 A 506 GLU HBx H 1 1.669 0.000 A 506 GLU HGx H 1 2.019 0.000 A 506 GLU HGy H 1 2.212 0.000 A 506 GLU CA C 13 50.654 0.039 A 506 GLU CB C 13 24.264 0.038 A 506 GLU N N 15 120.967 0.000 A 507 ASP H H 1 7.941 0.000 A 507 ASP HA H 1 2.171 0.116 A 507 ASP HBy H 1 2.408 0.000 A 507 ASP HBx H 1 2.338 0.000 A 507 ASP CA C 13 45.399 0.000 A 507 ASP CB C 13 35.902 0.000 A 507 ASP N N 15 125.451 0.000 A 508 PRO HA H 1 3.683 0.000 A 508 PRO HBx H 1 0.421 0.005 A 508 PRO HBy H 1 0.482 0.019 A 508 PRO HDy H 1 2.611 0.000 A 508 PRO HDx H 1 2.408 0.039 A 508 PRO HGy H 1 0.601 0.000 A 508 PRO HGx H 1 0.174 0.004 A 508 PRO CA C 13 58.010 0.000 A 508 PRO CB C 13 24.381 0.000 A 509 ARG H H 1 7.061 0.000 A 509 ARG HA H 1 3.898 0.000 A 509 ARG HBy H 1 1.361 0.044 A 509 ARG HBx H 1 1.211 0.002 A 509 ARG HDy H 1 2.387 0.001 A 509 ARG HDx H 1 2.099 0.002 A 509 ARG HE H 1 8.071 0.000 A 509 ARG HGy H 1 0.687 0.006 A 509 ARG HGx H 1 0.535 0.005 A 509 ARG CA C 13 52.327 0.077 A 509 ARG CB C 13 23.564 0.039 A 510 LEU H H 1 7.029 0.000 A 510 LEU HA H 1 3.522 0.001 A 510 LEU HBx H 1 1.199 0.000 A 510 LEU HG H 1 1.024 0.000 A 510 LEU CA C 13 49.759 0.000 A 510 LEU CB C 13 35.357 0.000 A 510 LEU N N 15 117.237 0.000 A 511 LYS H H 1 7.003 0.000 A 511 LYS HA H 1 4.042 0.000 A 511 LYS HBx H 1 1.231 0.000 A 511 LYS HBy H 1 1.279 0.000 A 511 LYS HDx H 1 0.959 0.000 A 511 LYS HDy H 1 1.041 0.008 A 511 LYS HEx H 1 2.640 0.000 A 511 LYS HGx H 1 1.526 0.000 A 511 LYS CA C 13 53.142 0.001 A 511 LYS CB C 13 27.310 0.000 A 511 LYS N N 15 118.363 0.000 A 512 PHE H H 1 7.640 0.000 A 512 PHE HA H 1 4.373 0.040 A 512 PHE HBy H 1 2.889 0.000 A 512 PHE HBx H 1 2.613 0.000 A 512 PHE HDx H 1 7.010 0.001 A 512 PHE HDy H 1 7.010 0.001 A 512 PHE HEx H 1 7.064 0.004 A 512 PHE HEy H 1 7.064 0.004 A 512 PHE HZ H 1 6.850 0.000 A 512 PHE CA C 13 49.412 0.004 A 512 PHE N N 15 120.502 0.000 A 513 PRO HA H 1 4.195 0.000 A 513 PRO HBy H 1 1.982 0.000 A 513 PRO HBx H 1 1.710 0.000 A 513 PRO HDy H 1 3.404 0.001 A 513 PRO HDx H 1 3.284 0.002 A 513 PRO HGx H 1 1.577 0.000 A 514 VAL H H 1 7.900 0.001 A 514 VAL HA H 1 3.966 0.000 A 514 VAL HB H 1 1.195 0.000 A 514 VAL CA C 13 56.742 0.000 A 514 VAL CB C 13 26.699 0.000 A 515 HIS H H 1 7.707 0.000 A 515 HIS HA H 1 4.256 0.000 A 515 HIS HBy H 1 2.703 0.000 A 515 HIS HBx H 1 2.570 0.000 A 515 HIS HD1 H 1 6.525 0.001 A 515 HIS HD2 H 1 6.524 0.000 A 515 HIS HE1 H 1 6.968 0.005 A 515 HIS CA C 13 51.256 0.000 A 515 HIS CB C 13 25.011 0.000 A 515 HIS N N 15 126.803 0.000 B 202 ALA H1 H 1 8.193 0.000 B 202 ALA HA H 1 4.064 0.000 B 203 GLY H H 1 8.229 0.002 B 204 SEP H H 1 7.986 0.002 B 204 SEP HA H 1 4.515 0.001 B 204 SEP HB2 H 1 3.641 0.009 B 204 SEP HB3 H 1 3.601 0.001 B 205 PRO HA H 1 4.207 0.003 B 206 ASN H H 1 8.329 0.000 B 206 ASN HA H 1 4.425 0.000 B 206 ASN HBy H 1 2.574 0.000 B 206 ASN HBx H 1 2.467 0.000 B 206 ASN HD2y H 1 7.475 0.002 B 206 ASN HD2x H 1 6.872 0.000 B 207 LEU H H 1 8.113 0.003 B 207 LEU HA H 1 4.151 0.004 B 207 LEU HBx H 1 1.359 0.010 B 208 SEP H H 1 8.407 0.000 B 208 SEP HA H 1 4.537 0.001 B 208 SEP HBy H 1 3.807 0.002 B 208 SEP HBx H 1 3.774 0.002 B 209 PRO HA H 1 4.158 0.000 B 209 PRO HBy H 1 2.028 0.000 B 209 PRO HBx H 1 1.768 0.001 B 209 PRO HGx H 1 1.655 0.002 B 210 ASN H H 1 8.291 0.000 B 210 ASN HA H 1 4.409 0.000 B 210 ASN HBy H 1 2.558 0.000 B 210 ASN HBx H 1 2.490 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 485 MET HA A 495 PHE HA 1.0 2.09644615385 6.07275384615 2 2 A 483 TRP HA A 484 GLU H 1.0 1.83186923077 4.04433076923 3 3 A 483 TRP H A 482 GLY H 1.0 1.92574615385 4.76405384615 4 4 A 483 TRP H A 482 GLY HAy 1.0 1.94679230769 4.92540769231 5 5 A 483 TRP H A 482 GLY HAx 1.0 1.97960769231 5.17699230769 6 6 A 483 TRP HA A 498 HIS H 1.0 1.95175384615 4.96344615385 7 7 A 483 TRP HA A 497 ASP HA 1.0 1.96954615385 5.09985384615 8 8 A 484 GLU H A 497 ASP HA 1.0 1.98399230769 5.21060769231 9 9 A 484 GLU H A 483 TRP H 1.0 2.01701538462 5.46378461538 10 10 A 484 GLU H A 485 MET H 1.0 2.13207692308 6.34592307692 11 11 A 485 MET H A 484 GLU HA 1.0 1.87689230769 4.38950769231 12 12 A 484 GLU H A 496 TYR H 1.0 1.99216153846 5.27323846154 13 13 A 485 MET HA A 496 TYR H 1.0 2.00471538462 5.36948461538 14 14 A 504 THR HA A 505 TRP H 1.0 2.00972307692 5.40787692308 15 15 A 490 ASN H A 491 GLY H 1.0 2.00383846154 5.36276153846 16 16 A 491 GLY H A 492 ARG H 1.0 1.96040769231 5.02979230769 17 17 A 491 GLY H A 490 ASN HA 1.0 1.92673846154 4.77166153846 18 18 A 482 GLY HAy A 483 TRP HZ3 1.0 2.06988461538 5.86911538462 19 19 A 496 TYR HA A 504 THR H 1.0 2.05878461538 5.78401538462 20 20 A 504 THR H A 503 THR HA 1.0 1.81525384615 3.91694615385 21 21 A 492 ARG H A 491 GLY HAx 1.0 2.05590000000 5.76190000000 22 22 A 492 ARG H A 491 GLY HAy 1.0 2.05449230769 5.75110769231 23 23 A 487 ILE HA A 488 ALA H 1.0 1.78546153846 3.68853846154 24 24 A 492 ARG HA A 493 PRO HDy 1.0 1.92946153846 4.79253846154 25 25 A 492 ARG HA A 493 PRO HDx 1.0 1.84239230769 4.12500769231 26 26 A 485 MET HA A 486 ARG H 1.0 1.83507692308 4.06892307692 27 27 A 498 HIS H A 499 ASN H 1.0 1.90998461538 4.64321538462 28 28 A 484 GLU H A 483 TRP HBx 1.0 1.96453846154 5.06146153846 29 29 A 484 GLU H A 483 TRP HBy 1.0 2.01664615385 5.46095384615 30 30 A 495 PHE HA A 496 TYR H 1.0 1.84070769231 4.11209230769 31 31 A 496 TYR H A 495 PHE HBy 1.0 2.04826153846 5.70333846154 32 32 A 485 MET H A 484 GLU HBy 1.0 2.02698461538 5.54021538462 33 33 A 496 TYR HA A 497 ASP H 1.0 1.89950769231 4.56289230769 34 34 A 498 HIS H A 497 ASP HBx 1.0 2.06146153846 5.80453846154 35 35 A 498 HIS H A 497 ASP HA 1.0 1.75366153846 3.44473846154 36 36 A 499 ASN H A 498 HIS HA 1.0 1.98609230769 5.22670769231 37 37 A 499 ASN H A 498 HIS HBx 1.0 1.98639230769 5.22900769231 38 38 A 499 ASN H A 498 HIS HBy 1.0 2.00506153846 5.37213846154 39 39 A 505 TRP H A 504 THR HG21 1.0 2.15413846154 6.51506153846 40 40 A 504 THR H A 503 THR HG21 1.0 2.00312307692 5.35727692308 41 41 A 480 PRO HDy A 479 LEU HD11 1.0 2.10930000000 6.17130000000 42 42 A 480 PRO HDy A 479 LEU HA 1.0 1.91796923077 4.70443076923 43 43 A 478 PHE H A 479 LEU H 1.0 2.10544615385 6.14175384615 44 44 A 479 LEU H A 478 PHE HBx 1.0 2.00316923077 5.35763076923 45 45 A 479 LEU H A 478 PHE HBy 1.0 1.99248461538 5.27571538462 46 46 A 479 LEU H A 478 PHE HA 1.0 1.87984615385 4.41215384615 47 47 A 479 LEU H A 478 PHE HA 1.0 2.16796153846 6.62103846154 48 48 A 476 GLN HBy A 477 SER H 1.0 1.81984615385 3.95215384615 49 49 A 477 SER H A 476 GLN HBx 1.0 1.78236923077 3.66483076923 50 50 A 507 ASP H A 506 GLU H 1.0 2.01863076923 5.47616923077 51 51 A 477 SER H A 476 GLN HA 1.0 1.56690000000 2.56690000000 52 52 A 475 GLU HA A 476 GLN H 1.0 1.25000000000 2.25000000000 53 53 A 488 ALA H A 487 ILE HD11 1.0 2.06868461538 5.85991538462 54 54 A 488 ALA H A 487 ILE HG21 1.0 2.18912307692 6.78327692308 55 55 A 488 ALA H A 487 ILE HB 1.0 1.97946923077 5.17593076923 56 56 A 514 VAL HA A 515 HIS H 1.0 1.70580000000 3.07780000000 57 57 A 515 HIS H A 514 VAL HG11 1.0 2.13503076923 6.36856923077 58 58 A 515 HIS H A 514 VAL HB 1.0 1.94185384615 4.88754615385 59 59 A 510 LEU HA A 511 LYS H 1.0 1.99359230769 5.28420769231 60 60 A 511 LYS HA A 512 PHE H 1.0 2.01863076923 5.47616923077 61 61 A 512 PHE H A 511 LYS HGx 1.0 2.15130000000 6.49330000000 62 62 A 512 PHE H A 511 LYS HDx 1.0 2.02086923077 5.49333076923 63 63 A 512 PHE H A 511 LYS HBx 1.0 1.87608461538 4.38331538462 64 64 A 511 LYS H A 512 PHE H 1.0 2.14149230769 6.41810769231 65 65 A 512 PHE H A 510 LEU H 1.0 2.13761538462 6.38838461538 66 66 A 499 ASN HA A 500 THR H 1.0 1.95156923077 4.96203076923 67 67 A 500 THR H A 499 ASN HBy 1.0 1.93806923077 4.85853076923 68 68 A 500 THR H A 499 ASN HBx 1.0 1.93234615385 4.81465384615 69 69 A 502 THR H A 501 LYS H 1.0 1.96636153846 5.07543846154 70 70 A 500 THR H A 501 LYS H 1.0 1.86796153846 4.32103846154 71 71 A 501 LYS H A 500 THR HG21 1.0 2.06323846154 5.81816153846 72 72 A 497 ASP HBx A 483 TRP HE3 1.0 2.00028461538 5.33551538462 73 73 A 497 ASP HBx A 483 TRP HH2 1.0 2.00540769231 5.37479230769 74 74 A 496 TYR H A 484 GLU HBx 1.0 2.12803846154 6.31496153846 75 75 A 496 TYR H A 484 GLU HBy 1.0 2.11119230769 6.18580769231 76 76 A 496 TYR H A 484 GLU HGy 1.0 2.11119230769 6.18580769231 77 77 A 484 GLU H A 483 TRP HE3 1.0 2.09462307692 6.05877692308 78 78 A 496 TYR H A 483 TRP HE3 1.0 2.05615384615 5.76384615385 79 79 A 494 PHE HA A 505 TRP HZ3 1.0 1.91106923077 4.65153076923 80 80 A 494 PHE HA A 495 PHE H 1.0 1.96663846154 5.07756153846 81 81 A 484 GLU H A 483 TRP HZ3 1.0 1.97178461538 5.11701538462 82 82 A 503 THR HB A 494 PHE HD% 1.0 1.98715384615 5.23484615385 83 83 A 504 THR H A 503 THR HB 1.0 1.96273846154 5.04766153846 84 84 A 488 ALA HB1 A 494 PHE HE% 1.0 2.19046153846 6.79353846154 85 85 A 487 ILE HA A 494 PHE H 1.0 2.06185384615 5.80754615385 86 86 A 503 THR HG21 A 494 PHE HE% 1.0 2.09136923077 6.03383076923 87 87 A 494 PHE HE% A 496 TYR HBx 1.0 2.15270769231 6.50409230769 88 88 A 494 PHE HE% A 486 ARG HBx 1.0 2.10613846154 6.14706153846 89 89 A 494 PHE HD% A 486 ARG HBx 1.0 2.04897692308 5.70882307692 90 90 A 494 PHE HE% A 487 ILE H 1.0 2.18787692308 6.77372307692 91 91 A 485 MET HA A 495 PHE HD% 1.0 1.93823076923 4.85976923077 92 92 A 495 PHE HD% A 479 LEU HD21 1.0 2.00656153846 5.38363846154 93 93 A 479 LEU HD21 A 478 PHE HD% 1.0 2.01980769231 5.48519230769 94 94 A 483 TRP H A 479 LEU HD21 1.0 2.12383846154 6.28276153846 95 95 A 479 LEU HD21 A 483 TRP HE1 1.0 2.16588461538 6.60511538462 96 96 A 483 TRP HA A 497 ASP HA 1.0 1.89191538462 4.50468461538 97 97 A 483 TRP H A 479 LEU HD11 1.0 2.16796153846 6.62103846154 98 98 A 480 PRO HA A 481 PRO HDy 1.0 1.86662307692 4.31077692308 99 99 A 480 PRO HA A 481 PRO HDx 1.0 1.89918461538 4.56041538462 100 100 A 506 GLU H A 505 TRP HBx 1.0 2.04740769231 5.69679230769 101 101 A 512 PHE H A 511 LYS HBy 1.0 1.89094615385 4.49725384615 102 102 A 491 GLY H A 487 ILE HG21 1.0 2.20839230769 6.93100769231 103 103 A 491 GLY H A 490 ASN HA 1.0 1.92673846154 4.77166153846 104 104 A 499 ASN H A 500 THR H 1.0 1.89602307692 4.53617692308 105 105 A 499 ASN H A 501 LYS H 1.0 1.94323846154 4.89816153846 106 106 A 488 ALA HA A 489 PRO HDy 1.0 1.74143076923 3.35096923077 107 107 A 488 ALA HA A 489 PRO HDx 1.0 1.75899230769 3.48560769231 108 108 A 515 HIS H A 514 VAL H 1.0 1.91125384615 4.65294615385 109 109 A 505 TRP H A 506 GLU H 1.0 2.00247692308 5.35232307692 110 110 A 496 TYR H A 495 PHE HE% 1.0 2.28641538462 7.52918461538 111 111 A 487 ILE H A 486 ARG HA 1.0 2.04837692308 5.70422307692 112 112 A 512 PHE HA A 513 PRO HDy 1.0 1.73501538462 3.30178461538 113 113 A 487 ILE H A 486 ARG HGx 1.0 2.20142307692 6.87757692308 114 114 A 483 TRP HE1 A 480 PRO HGx 1.0 1.98768461538 5.23891538462 115 115 A 483 TRP HE1 A 480 PRO HGy 1.0 2.05195384615 5.73164615385 116 116 A 483 TRP HE1 A 480 PRO HBx 1.0 1.97690769231 5.15629230769 117 117 A 483 TRP HE1 A 480 PRO HBy 1.0 2.02636153846 5.53543846154 118 118 A 480 PRO HDy A 483 TRP HE1 1.0 2.10366923077 6.12813076923 119 119 A 507 ASP H A 506 GLU HA 1.0 1.67656153846 2.85363846154 120 120 A 507 ASP H A 506 GLU HGx 1.0 1.98355384615 5.20724615385 121 121 A 507 ASP H A 506 GLU HBy 1.0 1.99813846154 5.31906153846 122 122 A 507 ASP H A 506 GLU HBx 1.0 1.88250000000 4.43250000000 123 123 A 508 PRO HBx A 509 ARG H 1.0 2.04048461538 5.64371538462 124 124 A 509 ARG H A 508 PRO HBy 1.0 2.09499230769 6.06160769231 125 125 A 509 ARG H A 508 PRO HGy 1.0 1.84583076923 4.15136923077 126 126 A 510 LEU HA A 509 ARG H 1.0 1.86046153846 4.26353846154 127 127 A 510 LEU H A 509 ARG H 1.0 1.88856923077 4.47903076923 128 128 A 510 LEU H A 509 ARG HA 1.0 2.04512307692 5.67927692308 129 129 A 497 ASP H A 496 TYR HBx 1.0 2.01740769231 5.46679230769 130 130 A 492 ARG H A 488 ALA H 1.0 2.30217692308 7.65002307692 131 131 A 485 MET H A 484 GLU HBx 1.0 1.97704615385 5.15735384615 132 132 A 512 PHE HA A 513 PRO HDx 1.0 1.73907692308 3.33292307692 133 133 A 495 PHE H A 505 TRP HA 1.0 2.09194615385 6.03825384615 134 134 A 488 ALA HA A 493 PRO HA 1.0 2.02728461538 5.54251538462 135 135 A 483 TRP HE1 A 499 ASN HD2y 1.0 2.26966153846 7.40073846154 136 136 A 483 TRP HE1 A 499 ASN HD2x 1.0 2.28999230769 7.55660769231 137 137 A 495 PHE HA A 504 THR HB 1.0 2.23956923077 7.17003076923 138 138 A 495 PHE HA A 485 MET HGy 1.0 2.19117692308 6.79902307692 139 139 A 495 PHE HA A 487 ILE HD11 1.0 2.53846153846 9.46153846154 140 140 A 495 PHE HA A 487 ILE HG21 1.0 2.29714615385 7.61145384615 141 141 A 495 PHE HA A 487 ILE HB 1.0 2.34876923077 8.00723076923 142 142 A 488 ALA HB1 A 494 PHE HE% 1.0 2.19046153846 6.79353846154 143 143 A 495 PHE HD% A 479 LEU HBy 1.0 1.97323846154 5.12816153846 144 144 A 495 PHE HD% A 479 LEU HBx 1.0 2.05590000000 5.76190000000 145 145 A 483 TRP HZ3 A 504 THR HG21 1.0 2.00907692308 5.40292307692 146 146 A 504 THR HG21 A 483 TRP HH2 1.0 1.90645384615 4.61614615385 147 147 A 504 THR HG21 A 483 TRP HZ2 1.0 1.97833846154 5.16726153846 148 148 A 504 THR HG21 A 483 TRP HE3 1.0 1.88233846154 4.43126153846 149 149 A 477 SER HBy A 478 PHE HE% 1.0 2.08223076923 5.96376923077 150 150 A 495 PHE HBy A 483 TRP HE3 1.0 1.93266923077 4.81713076923 151 151 A 511 LYS H A 510 LEU H 1.0 1.98920769231 5.25059230769 152 152 A 495 PHE H A 494 PHE HBx 1.0 2.06065384615 5.79834615385 153 153 A 495 PHE H A 494 PHE HBy 1.0 2.10828461538 6.16351538462 154 154 A 494 PHE HBy A 505 TRP HE3 1.0 1.98519230769 5.21980769231 155 155 A 494 PHE HBx A 505 TRP HE3 1.0 1.99650000000 5.30650000000 156 156 A 485 MET HA A 495 PHE HZ 1.0 2.16946153846 6.63253846154 157 157 A 479 LEU HD11 A 483 TRP HE3 1.0 2.06439230769 5.82700769231 158 158 A 483 TRP HE3 A 479 LEU HD21 1.0 2.12432307692 6.28647692308 159 159 A 479 LEU HD11 A 495 PHE HD% 1.0 1.99225384615 5.27394615385 160 160 A 483 TRP HH2 A 479 LEU HD21 1.0 2.11488461538 6.21411538462 161 161 A 483 TRP HZ3 A 479 LEU HD11 1.0 2.07341538462 5.89618461538 162 162 A 483 TRP HZ3 A 479 LEU HD21 1.0 2.06522307692 5.83337692308 163 163 A 498 HIS H A 497 ASP HBy 1.0 2.10170769231 6.11309230769 164 164 A 497 ASP HA A 498 HIS HE1 1.0 1.88591538462 4.45868461538 165 165 A 483 TRP HZ2 A 497 ASP HBy 1.0 1.99440000000 5.29040000000 166 166 A 497 ASP HA A 483 TRP HZ2 1.0 1.87442307692 4.37057692308 167 167 A 497 ASP HA A 483 TRP HH2 1.0 2.09176153846 6.03683846154 168 168 A 483 TRP HH2 A 508 PRO HGx 1.0 2.03252307692 5.58267692308 169 169 A 483 TRP HZ3 A 508 PRO HGx 1.0 1.99520769231 5.29659230769 170 170 A 491 GLY H A 487 ILE HD11 1.0 2.15944615385 6.55575384615 171 171 A 482 GLY H A 481 PRO HA 1.0 1.78721538462 3.70198461538 172 172 A 484 GLU H A 482 GLY H 1.0 2.06490000000 5.83090000000 173 173 A 496 TYR H A 504 THR HG21 1.0 2.15035384615 6.48604615385 174 174 A 496 TYR H A 503 THR HG21 1.0 2.13565384615 6.37334615385 175 175 A 504 THR H A 495 PHE H 1.0 2.04897692308 5.70882307692 176 176 A 497 ASP HBx A 483 TRP HZ2 1.0 1.97903076923 5.17256923077 177 177 A 497 ASP H A 503 THR HG21 1.0 2.10198461538 6.11521538462 178 178 A 511 LYS H A 510 LEU HD11 1.0 2.07023076923 5.87176923077 179 179 A 511 LYS H A 510 LEU HD21 1.0 2.20269230769 6.88730769231 180 180 A 490 ASN H A 492 ARG HBx 1.0 2.05283076923 5.73836923077 181 181 A 503 THR HG21 A 494 PHE HE% 1.0 2.09136923077 6.03383076923 182 182 A 494 PHE HE% A 492 ARG HGx 1.0 1.83507692308 4.06892307692 183 183 A 494 PHE HD% A 492 ARG HGx 1.0 2.07230769231 5.88769230769 184 184 A 496 TYR HA A 503 THR HA 1.0 2.05576153846 5.76083846154 185 185 A 503 THR HA A 496 TYR HBx 1.0 2.13078461538 6.33601538462 186 186 A 503 THR HG21 A 494 PHE HE% 1.0 2.09136923077 6.03383076923 187 187 A 482 GLY H A 481 PRO HBy 1.0 1.94434615385 4.90665384615 188 188 A 482 GLY H A 481 PRO HGy 1.0 2.01099230769 5.41760769231 189 189 A 482 GLY H A 481 PRO HGx 1.0 2.10463846154 6.13556153846 190 190 A 482 GLY H A 481 PRO HBx 1.0 2.04609230769 5.68670769231 191 191 A 479 LEU HA A 480 PRO HDx 1.0 1.91741538462 4.70018461538 192 192 A 485 MET H A 484 GLU HGx 1.0 2.06730000000 5.84930000000 193 193 A 485 MET H A 484 GLU HGy 1.0 2.06730000000 5.84930000000 194 194 A 486 ARG H A 487 ILE H 1.0 2.02126153846 5.49633846154 195 195 A 486 ARG H A 494 PHE H 1.0 1.75220769231 3.43359230769 196 196 A 494 PHE H A 493 PRO HA 1.0 2.09847692308 6.08832307692 197 197 A 492 ARG H A 493 PRO HDy 1.0 2.12778461538 6.31301538462 198 198 A 502 THR H A 501 LYS HA 1.0 1.91836153846 4.70743846154 199 199 A 502 THR HB A 503 THR H 1.0 1.89535384615 4.53104615385 200 200 A 503 THR H A 502 THR HA 1.0 1.74583846154 3.38476153846 201 201 A 503 THR H A 502 THR HG21 1.0 1.95288461538 4.97211538462 202 202 A 505 TRP H A 504 THR HB 1.0 2.00566153846 5.37673846154 203 203 A 495 PHE HA A 486 ARG H 1.0 1.99846153846 5.32153846154 204 204 A 476 GLN H A 475 GLU HGy 1.0 1.94166923077 4.88613076923 205 205 A 474 MET HA A 475 GLU H 1.0 2.12042307692 6.25657692308 206 206 A 476 GLN H A 475 GLU H 1.0 1.86332307692 4.28547692308 207 207 A 508 PRO HGx A 507 ASP HA 1.0 1.97563846154 5.14656153846 208 208 A 508 PRO HGy A 507 ASP HA 1.0 2.16685384615 6.61254615385 209 209 A 507 ASP HA A 508 PRO HDy 1.0 1.95376153846 4.97883846154 210 210 A 509 ARG H A 508 PRO HA 1.0 1.88810769231 4.47549230769 211 211 A 510 LEU H A 509 ARG H 1.0 1.86237692308 4.27822307692 212 212 A 511 LYS H A 510 LEU H 1.0 1.99682307692 5.30897692308 213 213 A 492 ARG H A 493 PRO HDx 1.0 2.02945384615 5.55914615385 214 214 A 494 PHE H A 493 PRO HBy 1.0 2.08760769231 6.00499230769 215 215 A 494 PHE H A 493 PRO HBx 1.0 2.07327692308 5.89512307692 216 216 A 491 GLY H A 490 ASN HBx 1.0 2.08509230769 5.98570769231 217 217 A 491 GLY H A 490 ASN HBy 1.0 2.11246153846 6.19553846154 218 218 A 494 PHE HA A 505 TRP HE3 1.0 1.92784615385 4.78015384615 219 219 A 495 PHE HBy A 483 TRP HE3 1.0 1.92475384615 4.75644615385 220 220 A 512 PHE H A 511 LYS HDy 1.0 2.03967692308 5.63752307692 221 221 A 503 THR HG21 A 496 TYR HBy 1.0 2.03483076923 5.60036923077 222 222 A 496 TYR HA A 503 THR HG21 1.0 2.10713076923 6.15466923077 223 223 A 510 LEU HA A 512 PHE H 1.0 1.90608461538 4.61331538462 224 224 A 511 LYS HA A 514 VAL H 1.0 2.00471538462 5.36948461538 225 225 A 478 PHE H A 477 SER HBx 1.0 1.88794615385 4.47425384615 226 226 A 478 PHE H A 477 SER HBy 1.0 1.83053076923 4.03406923077 227 227 A 478 PHE H A 477 SER HA 1.0 1.99075384615 5.26244615385 228 228 A 478 PHE H A 477 SER H 1.0 2.03040000000 5.56640000000 229 229 A 493 PRO HA A 487 ILE HG1y 1.0 2.01625384615 5.45794615385 230 230 A 487 ILE HD11 A 493 PRO HA 1.0 1.96818461538 5.08941538462 231 231 A 487 ILE HD11 A 493 PRO HBy 1.0 1.97794615385 5.16425384615 232 232 A 487 ILE HD11 A 493 PRO HGy 1.0 1.88552307692 4.45567692308 233 233 A 487 ILE HD11 A 493 PRO HGx 1.0 2.00656153846 5.38363846154 234 234 A 479 LEU H A 477 SER HA 1.0 1.95156923077 4.96203076923 235 235 A 484 GLU HGy A 498 HIS HE1 1.0 2.01625384615 5.45794615385 236 236 A 484 GLU HBy A 498 HIS HE1 1.0 1.92200769231 4.73539230769 237 237 A 484 GLU HBx A 498 HIS HE1 1.0 1.91053846154 4.64746153846 238 238 A 498 HIS HE1 A 496 TYR HE% 1.0 2.04191538462 5.65468461538 239 239 A 506 GLU H A 505 TRP HA 1.0 2.05257692308 5.73642307692 240 240 A 491 GLY H A 487 ILE HG1x 1.0 1.86159230769 4.27220769231 241 241 A 487 ILE HA A 493 PRO HA 1.0 1.96636153846 5.07543846154 242 242 A 487 ILE HA A 493 PRO HGx 1.0 1.87423846154 4.36916153846 243 243 A 487 ILE HA A 493 PRO HGy 1.0 1.88591538462 4.45868461538 244 244 A 496 TYR H A 495 PHE HBx 1.0 2.04526153846 5.68033846154 245 245 A 483 TRP HZ3 A 495 PHE HBx 1.0 1.89433846154 4.52326153846 246 246 A 495 PHE HD% A 509 ARG HGx 1.0 2.14421538462 6.43898461538 247 247 A 495 PHE HD% A 509 ARG HGy 1.0 2.07879230769 5.93740769231 248 248 A 495 PHE HD% A 485 MET HGy 1.0 2.00130000000 5.34330000000 249 249 A 495 PHE HD% A 485 MET HBy 1.0 2.02550769231 5.52889230769 250 250 A 495 PHE HD% A 485 MET HBx 1.0 1.98669230769 5.23130769231 251 251 A 478 PHE HE% A 485 MET HBx 1.0 1.95650769231 4.99989230769 252 252 A 485 MET HGy A 478 PHE HZ 1.0 1.95516923077 4.98963076923 253 253 A 485 MET HBy A 478 PHE HZ 1.0 1.96384615385 5.05615384615 254 254 A 485 MET HBx A 478 PHE HZ 1.0 1.93266923077 4.81713076923 255 255 A 478 PHE HZ A 485 MET HGx 1.0 1.84105384615 4.11474615385 256 256 A 495 PHE HD% A 485 MET HGx 1.0 1.96218461538 5.04341538462 257 257 A 478 PHE HZ A 485 MET HE1 1.0 1.99276153846 5.27783846154 258 258 A 495 PHE HD% A 485 MET HE1 1.0 2.13009230769 6.33070769231 259 259 A 478 PHE HE% A 485 MET HE1 1.0 2.13009230769 6.33070769231 260 260 A 475 GLU HGy A 476 GLN HE2y 1.0 2.11850769231 6.24189230769 261 261 A 503 THR HG21 A 496 TYR HD% 1.0 1.98440769231 5.21379230769 262 262 A 503 THR HG21 A 496 TYR HE% 1.0 2.09183076923 6.03736923077 263 263 A 484 GLU HBy A 498 HIS HD2 1.0 1.96781538462 5.08658461538 264 264 A 496 TYR HD% A 501 LYS HBy 1.0 2.06233846154 5.81126153846 265 265 A 496 TYR HE% A 501 LYS HBy 1.0 2.06665384615 5.84434615385 266 266 A 484 GLU HGy A 498 HIS HD2 1.0 2.05435384615 5.75004615385 267 267 A 500 THR H A 501 LYS HA 1.0 1.94582307692 4.91797692308 268 268 A 501 LYS HA A 496 TYR HE% 1.0 1.96509230769 5.06570769231 269 269 A 501 LYS HA A 496 TYR HD% 1.0 2.12120769231 6.26259230769 270 270 A 498 HIS HBx A 496 TYR HE% 1.0 2.04923076923 5.71076923077 271 271 A 498 HIS HBy A 496 TYR HE% 1.0 2.06808461538 5.85531538462 272 272 A 496 TYR HE% A 501 LYS HBx 1.0 2.12450769231 6.28789230769 273 273 A 496 TYR HE% A 501 LYS HGy 1.0 2.07486923077 5.90733076923 274 274 A 496 TYR HE% A 501 LYS HGx 1.0 2.08550769231 5.98889230769 275 275 A 480 PRO HBy A 483 TRP HD1 1.0 1.80798461538 3.86121538462 276 276 A 480 PRO HBx A 483 TRP HD1 1.0 1.71293076923 3.13246923077 277 277 A 480 PRO HGx A 483 TRP HD1 1.0 1.83837692308 4.09422307692 278 278 A 480 PRO HGy A 483 TRP HD1 1.0 1.84703076923 4.16056923077 279 279 A 504 THR HG21 A 495 PHE HD% 1.0 2.01025384615 5.41194615385 280 280 A 495 PHE HD% A 507 ASP HBy 1.0 1.99370769231 5.28509230769 281 281 A 494 PHE HD% A 486 ARG HBy 1.0 1.99961538462 5.33038461538 282 282 A 494 PHE HD% A 492 ARG HBy 1.0 2.01634615385 5.45865384615 283 283 A 494 PHE HD% A 492 ARG HBx 1.0 1.87940769231 4.40879230769 284 284 A 503 THR HG21 A 494 PHE HD% 1.0 1.91997692308 4.71982307692 285 285 A 510 LEU H A 509 ARG HGy 1.0 1.90661538462 4.61738461538 286 286 A 510 LEU H A 508 PRO HBx 1.0 2.01853846154 5.47546153846 287 287 A 510 LEU H A 508 PRO HGx 1.0 2.05107692308 5.72492307692 288 288 A 514 VAL HG11 A 515 HIS HD1 1.0 2.15831538462 6.54708461538 289 289 A 515 HIS H A 514 VAL HG21 1.0 2.11195384615 6.19164615385 290 290 A 515 HIS HD1 A 514 VAL HG21 1.0 2.16207692308 6.57592307692 291 291 A 514 VAL HB A 515 HIS HD1 1.0 2.08880769231 6.01419230769 292 292 A 514 VAL HB A 515 HIS HE1 1.0 2.03935384615 5.63504615385 293 293 A 514 VAL HG11 A 515 HIS HE1 1.0 2.14963846154 6.48056153846 294 294 A 504 THR HG21 A 506 GLU H 1.0 2.01362307692 5.43777692308 295 295 A 505 TRP HE3 A 492 ARG HBy 1.0 2.01420000000 5.44220000000 296 296 A 505 TRP HE3 A 492 ARG HBx 1.0 1.92971538462 4.79448461538 297 297 A 505 TRP HE3 A 492 ARG HGx 1.0 2.15224615385 6.50055384615 298 298 A 505 TRP HE3 A 492 ARG HGy 1.0 2.01883846154 5.47776153846 299 299 A 477 SER H A 476 GLN HGy 1.0 1.90608461538 4.61331538462 300 300 A 483 TRP HZ2 A 502 THR HG21 1.0 2.06065384615 5.79834615385 301 301 A 483 TRP HZ2 A 510 LEU HD11 1.0 2.04343846154 5.66636153846 302 302 A 483 TRP HZ2 A 510 LEU HD21 1.0 2.10083076923 6.10636923077 303 303 A 508 PRO HBx A 483 TRP HZ2 1.0 2.08744615385 6.00375384615 304 304 A 494 PHE HD% A 488 ALA HA 1.0 1.99467692308 5.29252307692 305 305 A 494 PHE HD% A 486 ARG HGx 1.0 2.04537692308 5.68122307692 306 306 A 494 PHE HD% A 486 ARG HGy 1.0 2.00566153846 5.37673846154 307 307 A 494 PHE HD% A 486 ARG HDy 1.0 2.04572307692 5.68387692308 308 308 A 508 PRO HBx A 507 ASP HA 1.0 2.00506153846 5.37213846154 309 309 A 496 TYR H A 486 ARG H 1.0 2.08022307692 5.94837692308 310 310 A 495 PHE H A 494 PHE HD% 1.0 2.05797692308 5.77782307692 311 311 A 494 PHE HD% A 487 ILE H 1.0 1.97365384615 5.13134615385 312 312 A 496 TYR H A 495 PHE HD% 1.0 2.04041538462 5.64318461538 313 313 A 474 MET H A 473 ALA H 1.0 1.91088461538 4.65011538462 314 314 A 503 THR HA A 497 ASP H 1.0 1.97704615385 5.15735384615 315 315 A 485 MET H A 479 LEU HD11 1.0 2.02786153846 5.54693846154 316 316 A 485 MET H A 479 LEU HD21 1.0 2.16699230769 6.61360769231 317 317 A 479 LEU HD11 A 478 PHE HE% 1.0 1.99225384615 5.27394615385 318 318 A 479 LEU HD11 A 478 PHE HZ 1.0 2.02301538462 5.50978461538 319 319 A 479 LEU HD11 A 478 PHE HZ 1.0 1.98080769231 5.18619230769 320 320 A 479 LEU HD11 A 478 PHE HD% 1.0 2.02230000000 5.50430000000 321 321 A 475 GLU HGy A 512 PHE HD% 1.0 2.10445384615 6.13414615385 322 322 A 512 PHE HD% A 509 ARG HBx 1.0 1.98948461538 5.25271538462 323 323 A 512 PHE HA A 513 PRO HDx 1.0 1.94102307692 4.88117692308 324 324 A 512 PHE HA A 513 PRO HDx 1.0 1.94663076923 4.92416923077 325 325 A 494 PHE HE% A 486 ARG HBy 1.0 2.09141538462 6.03418461538 326 326 A 494 PHE HE% A 486 ARG HGy 1.0 2.12914615385 6.32345384615 327 327 A 483 TRP HH2 A 508 PRO HBx 1.0 2.05811538462 5.77888461538 328 328 A 509 ARG H A 508 PRO HGx 1.0 2.07433846154 5.90326153846 329 329 A 495 PHE HD% A 508 PRO HBx 1.0 2.09088461538 6.03011538462 330 330 A 495 PHE HD% A 508 PRO HGx 1.0 2.08174615385 5.96005384615 331 331 A 503 THR HA A 496 TYR HD% 1.0 1.99354615385 5.28385384615 332 332 A 487 ILE HA A 494 PHE HD% 1.0 1.99596923077 5.30243076923 333 333 A 483 TRP HA A 498 HIS HE1 1.0 1.96453846154 5.06146153846 334 334 A 497 ASP HA A 483 TRP HD1 1.0 1.94893846154 4.94186153846 335 335 A 510 LEU HA A 512 PHE HD% 1.0 1.99596923077 5.30243076923 336 336 A 513 PRO HDy A 512 PHE HD% 1.0 2.00196923077 5.34843076923 337 337 A 513 PRO HDx A 512 PHE HD% 1.0 1.98699230769 5.23360769231 338 338 A 508 PRO HA A 512 PHE HD% 1.0 2.02509230769 5.52570769231 339 339 A 483 TRP HZ3 A 495 PHE HBy 1.0 1.85418461538 4.21541538462 340 340 A 478 PHE HD% A 485 MET HGy 1.0 1.98311538462 5.20388461538 341 341 A 478 PHE HD% A 485 MET HGx 1.0 1.90463076923 4.60216923077 342 342 A 478 PHE HD% A 485 MET HBy 1.0 1.98639230769 5.22900769231 343 343 A 478 PHE HD% A 485 MET HBx 1.0 1.96236923077 5.04483076923 344 344 A 478 PHE HD% A 479 LEU HBx 1.0 1.98519230769 5.21980769231 345 345 A 479 LEU HBx A 478 PHE HZ 1.0 1.91912307692 4.71327692308 346 346 A 509 ARG HGx A 512 PHE HD% 1.0 2.04826153846 5.70333846154 347 347 A 509 ARG HGx A 512 PHE HE% 1.0 1.88432307692 4.44647692308 348 348 A 509 ARG HGy A 512 PHE HE% 1.0 1.89763846154 4.54856153846 349 349 A 509 ARG HBx A 512 PHE HE% 1.0 1.83786923077 4.09033076923 350 350 A 512 PHE HD% A 509 ARG HBy 1.0 1.98489230769 5.21750769231 351 351 A 512 PHE HE% A 509 ARG HBy 1.0 1.84036153846 4.10943846154 352 352 A 485 MET HA A 478 PHE HD% 1.0 2.02073076923 5.49226923077 353 353 A 495 PHE HA A 478 PHE HD% 1.0 2.07486923077 5.90733076923 354 354 A 495 PHE HA A 483 TRP HZ3 1.0 1.96834615385 5.09065384615 355 355 A 478 PHE HD% A 495 PHE HBx 1.0 2.06386153846 5.82293846154 356 356 A 478 PHE HD% A 509 ARG HDx 1.0 1.98004615385 5.18035384615 357 357 A 478 PHE HD% A 509 ARG HDy 1.0 1.97644615385 5.15275384615 358 358 A 511 LYS HDx A 512 PHE HD% 1.0 2.07244615385 5.88875384615 359 359 A 511 LYS HDx A 512 PHE HE% 1.0 1.94088461538 4.88011538462 360 360 A 511 LYS HDy A 512 PHE HE% 1.0 1.96996153846 5.10303846154 361 361 A 511 LYS HDy A 512 PHE HD% 1.0 2.09166923077 6.03613076923 362 362 A 512 PHE HD% A 475 GLU HGx 1.0 2.08776923077 6.00623076923 363 363 A 509 ARG HGy A 483 TRP HD1 1.0 2.03778461538 5.62301538462 364 364 A 514 VAL HG11 A 483 TRP HD1 1.0 2.04773076923 5.69926923077 365 365 A 508 PRO HBy A 483 TRP HD1 1.0 2.09847692308 6.08832307692 366 366 A 503 THR HB A 494 PHE HE% 1.0 2.07069230769 5.87530769231 367 367 A 495 PHE HZ A 485 MET HGx 1.0 1.90137692308 4.57722307692 368 368 A 479 LEU HD11 A 483 TRP HD1 1.0 2.06494615385 5.83125384615 369 369 A 494 PHE HD% A 492 ARG HGy 1.0 2.06427692308 5.82612307692 370 370 A 485 MET HGy A 495 PHE HZ 1.0 2.06559230769 5.83620769231 371 371 A 480 PRO HBx A 483 TRP HZ2 1.0 1.99520769231 5.29659230769 372 372 A 496 TYR HE% A 501 LYS HDx 1.0 2.08509230769 5.98570769231 373 373 A 502 THR H A 501 LYS HGx 1.0 2.10036923077 6.10283076923 374 374 A 502 THR H A 501 LYS HBx 1.0 2.08560000000 5.98960000000 375 375 A 502 THR H A 501 LYS HBy 1.0 2.07646153846 5.91953846154 376 376 A 475 GLU HGy A 478 PHE HZ 1.0 2.02636153846 5.53543846154 377 377 A 478 PHE HD% A 475 GLU HGy 1.0 2.13803076923 6.39156923077 378 378 A 492 ARG HBy A 505 TRP HH2 1.0 1.96255384615 5.04624615385 379 379 A 492 ARG HBx A 505 TRP HH2 1.0 1.84257692308 4.12642307692 380 380 A 492 ARG HGy A 505 TRP HH2 1.0 2.01036923077 5.41283076923 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_